5-bromo-N-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-ethoxybenzenesulfonamide

C21H16BrClFNO4S — CID 2161250

IUPAC5-bromo-N-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1F
InChIInChI=1S/C21H16BrClFNO4S/c1-2-29-19-10-7-13(22)11-20(19)30(27,28)25-18-9-8-14(23)12-16(18)21(26)15-5-3-4-6-17(15)24/h3-12,25H,2H2,1H3
InChIKeyQNFZPNQQTAPJPY-UHFFFAOYSA-N
MW512.78 g/mol
LogP5.67
Rot. Bonds7

About 5-bromo-N-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-ethoxybenzenesulfonamide

5-bromo-N-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-ethoxybenzenesulfonamide (PubChem CID 2161250) has the molecular formula C21H16BrClFNO4S and a molecular weight of 512.78 g/mol. Its IUPAC name is 5-bromo-N-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-ethoxybenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-ethoxybenzenesulfonamide
PubChem CID2161250
Molecular FormulaC21H16BrClFNO4S
Molecular Weight512.78 g/mol
Exact Mass510.97
IUPAC Name5-bromo-N-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1F
InChIInChI=1S/C21H16BrClFNO4S/c1-2-29-19-10-7-13(22)11-20(19)30(27,28)25-18-9-8-14(23)12-16(18)21(26)15-5-3-4-6-17(15)24/h3-12,25H,2H2,1H3
InChIKeyQNFZPNQQTAPJPY-UHFFFAOYSA-N
XLogP5.67
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.78
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

Analyze 5-bromo-N-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-ethoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-(2,4-difluorophenyl)-2-ethoxybenzenesulfonamide
CID 2488065
8-[(5-bromo-2-ethoxyphenyl)sulfonylamino]naphthalene-1-carboxylic acid
CID 2432126
5-bromo-2-ethoxy-N-naphthalen-1-ylbenzenesulfonamide
CID 2394336
N-(5-bromo-2-ethoxyphenyl)sulfonyl-2-(4-chlorophenyl)acetamide
CID 166189927
5-bromo-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-ethoxybenzenesulfonamide
CID 24663322
2,5-diethoxy-N-(2-fluorophenyl)benzenesulfonamide
CID 7574411
(2-ethoxyphenyl) 5-bromo-2-fluorobenzenesulfonate
CID 52821043
N-(4-bromo-2-fluorophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]acetamide
CID 30168021
5-bromo-N-(3-chloropyrazin-2-yl)-2-ethoxybenzenesulfonamide
CID 102990126
N-(3-acetylphenyl)-5-bromo-2-ethoxybenzenesulfonamide
CID 2126237
5-bromo-2-[(5-chloro-2-ethoxybenzoyl)amino]benzoate
CID 9320369
5-bromo-N-(2,5-dimethylphenyl)-2-ethoxybenzenesulfonamide
CID 8014730

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-ethoxybenzenesulfonamide?
The IUPAC name of 5-bromo-N-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-ethoxybenzenesulfonamide (CID 2161250) is 5-bromo-N-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-ethoxybenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-ethoxybenzenesulfonamide?
The canonical SMILES for 5-bromo-N-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-ethoxybenzenesulfonamide is CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1F.
What is the InChIKey of 5-bromo-N-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-ethoxybenzenesulfonamide?
The InChIKey is QNFZPNQQTAPJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrClFNO4S/c1-2-29-19-10-7-13(22)11-20(19)30(27,28)25-18-9-8-14(23)12-16(18)21(26)15-5-3-4-6-17(15)24/h3-12,25H,2H2,1H3.
What are the key properties of 5-bromo-N-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-ethoxybenzenesulfonamide?
5-bromo-N-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-ethoxybenzenesulfonamide has a molecular weight of 512.78 g/mol, XLogP of 5.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-ethoxybenzenesulfonamide is sourced from PubChem (CID 2161250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).